Results 71 to 80 of about 2,450,481 (309)

Is HAM/3 (hydrogenic atoms in molecules, version 3) a semiempirical version of dft (density functional theory) for ionization processes?

open access: yesJournal of the Brazilian Chemical Society, 2004
We calculated valence-electron vertical ionization potentials (VIPs) of nine small molecules, plus uracil and C2F4, by several different methods: semiempirical HAM/3 and AM1 methods, different nonempirical DFT models such as uDI(B88-P86)/cc-pVTZ and ...
Takahata Yuji   +2 more
doaj  

Raman‐based label‐free microscopic analysis of the pancreas in living zebrafish larvae

open access: yesFEBS Open Bio, EarlyView.
Forward stimulated Raman scattering (F‐SRS) and epi coherent anti‐Stokes Raman scattering (E‐CARS) allow label‐free discrimination of distinct subcellular structures in the pancreas of living zebrafish larvae. Given the straightforward applicability, we anticipate broad implementation of Raman microscopy in other organs and across various biomedical ...
Noura Faraj   +3 more
wiley   +1 more source

Potential for Vertical Heterogeneity Prediction in Reservoir Basing on Machine Learning Methods

open access: yesGeofluids, 2020
With the rapid development of computer technology, some machine learning methods have begun to gradually integrate into the petroleum industry and have achieved some achievements, whether in conventional or unconventional reservoirs.
Hongqing Song   +6 more
doaj   +1 more source

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

open access: yesFEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

Measuring the Milky Way Vertical Potential with the Phase Snail in a Model-independent Way

open access: yesThe Astrophysical Journal
The vertical phase-space spiral (snail) is a direct sign of disequilibrium of the Milky Way’s disk. Nevertheless, the wrapping of the phase snail contains information on the vertical potential.
Rui Guo   +4 more
doaj   +1 more source

The Influence of Vertical Greening Systems on Building Energy Consumption and Comprehensive Carbon Emission

open access: yesBuildings
Vertical greening systems, in addition to enhancing the aesthetic design of building facades, contribute to energy saving and carbon reduction. This study proposes a simplified calculation method for the annual comprehensive carbon reduction potential of
Hongtu Mi   +3 more
doaj   +1 more source

Light use efficiency of lettuce cultivation in vertical farms compared with greenhouse and field

open access: yesFood and Energy Security, 2023
Vertical farming is a relatively new fresh fruit and vegetable production system, where lamps (mostly light emitting diodes [LED]) are the sole light source.
Wenqing Jin   +3 more
doaj   +1 more source

A Torsional potential for graphene derived from fitting to DFT results

open access: yes, 2017
We present a simple torsional potential for graphene to accurately describe its out-of-plane deformations. The parameters of the potential are derived through appropriate fitting with suitable DFT calculations regarding the deformation energy of graphene
Chatzidakis, Georgios D.   +3 more
core   +1 more source

C2α‐carbanion‐protonating glutamate discloses tradeoffs between substrate accommodation and reaction rate in actinobacterial 2‐hydroxyacyl‐CoA lyase

open access: yesFEBS Open Bio, EarlyView.
Enzymes of the 2‐hydroxyacyl‐CoA lyase group catalyze the condensation of formyl‐CoA with aldehydes or ketones. Thus, by structural adaptation of active sites, practically any pharmaceutically and industrially important 2‐hydroxyacid could be biotechnologically synthesized. Combining crystal structure analysis, active site mutations and kinetic assays,
Michael Zahn   +4 more
wiley   +1 more source

Biomass estimation as a function of vertical forest structure and forest height. Potential and limiations for remote sensing (radar and LiDAR) [PDF]

open access: yes, 2011
Forest biomass stock, spatial distribution and dynamics are unknown parameters for many regions of the world. Today’s information is largely based on ground measurements on a plot basis without coverage in many remote regions that are fundamental for the
Hajnsek, Irena   +3 more
core  

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